CHEBI:186878 - PG(P-20:0/22:2(13Z,16Z))

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name PG(P-20:0/22:2(13Z,16Z))
ChEBI ID CHEBI:186878
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C48H91O9P
Net Charge 0
Average Mass 843.221
Monoisotopic Mass 842.64007
InChI InChI=1S/C48H91O9P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-48(51)57-47(45-56-58(52,53)55-43-46(50)42-49)44-54-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,39,41,46-47,49-50H,3-10,12,14-16,18,20-38,40,42-45H2,1-2H3,(H,52,53)/b13-11-,19-17-,41-39-/t46-,47+/m0/s1
InChIKey QMQNELYYLPVINC-FJFKHDBWSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)CO/C=C\CCCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing PG(P-20:0/22:2(13Z,16Z)) (CHEBI:186878) is a glycerophosphoglycerols (CHEBI:24360)
IUPAC Name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-icos-1-enoxy]propan-2-yl] (13Z,16Z)-docosa-13,16-dienoate
Manual Xrefs Databases
113377803 ChemSpider
LMGP04030084 LIPID MAPS
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